How the liquid-liquid transition affects hydrophobic hydration in deeply supercooled water |
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Authors: | Paschek Dietmar |
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Affiliation: | Physikalische Chemie, Universit?t Dortmund, Otto-Hahn-Strasse 6, D-44221 Dortmund, Germany. dietmar.paschek@udo.edu |
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Abstract: | We determine the phase diagram of liquid supercooled water by extensive computer simulations using the TIP5P-E model. We find that the transformation of water into a low density liquid in the supercooled range strongly enhances the solubility of hydrophobic particles. The transformation of water into a tetrahedrally structured liquid is accompanied by a minimum in the hydration entropy and enthalpy. The corresponding change in sign of the solvation heat capacity indicates a loss of one characteristic signature of hydrophobic hydration. The observed behavior is found to be qualitatively in accordance with the predictions of the information theory model of Garde et al. |
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